SCHEMBL6537304

SCHEMBL6537304

COCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(C)c2c1N1CCN(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
HSD17B13 Q7Z5P4 4/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RIPK1 Q13546 1/20 0.34
LCK P06239 1/20 0.33
MAPK14 Q16539 1/20 0.33
ABL1 P00519 2/20 0.33
SRC P12931 2/20 0.33
P2RX7 Q99572 1/20 0.33
MMP2 P08253 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6538279 0.88 TP53 (0.38) MEN1KMT2AHSD17B13TP53MAPT
SCHEMBL6537657 0.87 PTGES (0.37) PTGESMEN1KMT2APOLBRIPK1
SCHEMBL6538217 0.85 PTGES (0.37) PTGESMEN1KMT2APOLBTP53
SCHEMBL6537822 0.83 LCK (0.37) MEN1KMT2ATP53MAPTLCK
SCHEMBL6537547 0.81 PTGES (0.42) PTGESMEN1KMT2APOLBTP53
SCHEMBL6537712 0.80 CYP3A4 (0.43) PTGESMEN1KMT2APOLBHSD17B13
SCHEMBL6537499 0.79 KMT2A (0.35) MEN1KMT2APOLBTP53MAPT
SCHEMBL6538108 0.79 MAPT (0.42) HSD17B13TP53MAPTHTTSMN1; SMN2
SCHEMBL6537705 0.78 MEN1 (0.37) MEN1KMT2APOLBTP53MAPT
SCHEMBL6538210 0.78 TP53 (0.38) TP53MAPTLCKMAPK14P2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed